[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=C(C=CS1)N2C=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=C(C=CS1)N2C=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-11(14(21)18-16(23)19-17(2,3)4)24-15(22)13-12(7-10-25-13)20-8-5-6-9-20/h5-11H,1-4H3,(H2,18,19,21,23)/t11-/m0/s1